SCHEMBL11116878

SCHEMBL11116878

N#CCn1nnnc1SCI

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
TSHR P16473 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11247305 0.78 KMT2A (0.62) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL11247291 0.78 LMNA (0.38) ALDH1A1KMT2ALMNA
SCHEMBL11118026 0.71 KMT2A (0.44) ALDH1A1KMT2ALMNAHSD17B10CYP2C19
SCHEMBL11076123 0.67
SCHEMBL8445215 0.67
SCHEMBL13638133 0.67
SCHEMBL10189375 0.63 GHSR (0.33) KMT2ALMNA
SCHEMBL9547313 0.59 ALDH1A1 (0.62) ALDH1A1KMT2ALMNAHSD17B10KDM4E
SCHEMBL10971800 0.55 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAHSD17B10KDM4E
SCHEMBL6897277 0.55 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP disclosed